4-(2,5-dimethoxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(2,5-dimethoxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(2,5-dimethoxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2699-0162 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C17 H20 N2 O3 S |
| Smiles: | CCCSC1=C(C#N)C(CC(N1)=O)c1cc(ccc1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0364 |
| logD: | 2.979 |
| logSw: | -3.4236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.361 |
| InChI Key: | FOLHNTDIDJAMGK-GFCCVEGCSA-N |